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Diazepam-M (HO-methyl-glucuronide) MS3_1
SpectraBase Compound ID Yi6FJEoLI3
InChI InChI=1S/C16H12ClN2O/c1-19-14-8-7-12(17)9-13(14)16(18-10-15(19)20)11-5-3-2-4-6-11/h2-9H,1,10H2/q+1
InChIKey HEJANUOPAABIDC-UHFFFAOYSA-N
Mol Weight 283.74 g/mol
Molecular Formula C16H12ClN2O
Exact Mass 283.063816 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID H2zmQnWCkMD
Name Temazepam-M (glucuronide) MS3_2
Comments T: ITMS + c ESI d w Full ms3 [email protected] [email protected] [65.00-295.00]
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InChI InChI=1S/C16H12ClN2O/c1-19-14-8-7-12(17)9-13(14)16(18-10-15(19)20)11-5-3-2-4-6-11/h2-9H,1,10H2/q+1
InChIKey HEJANUOPAABIDC-UHFFFAOYSA-N
Ion Polarity P
Ionization Type ESI
SMILES C=[N+]1C=2C(=CC(=CC2)Cl)C(=NCC1=O)C1=CC=CC=C1
Sample Comments The MWW Reference Handbook and associated table are attached to Record #1, under the Attachments tab. Refer to these references for the sample preparation procedure and abbreviations, as well as other relevant information pertaining to this database.
Sample Description Analyte Type: Metabolite
Source of Spectrum Maurer/Wissenbach/Weber, Saarland University
Spectrum Type ms3
Technique ITMS